2-ethoxyiminoindene-1,3-dione

C11H9NO3 — CID 594181

IUPAC2-ethoxyiminoindene-1,3-dione
SMILESCCON=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-2-15-12-9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6H,2H2,1H3
InChIKeyGJBCSUOCYFYQER-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.29
Rot. Bonds2

About 2-ethoxyiminoindene-1,3-dione

2-ethoxyiminoindene-1,3-dione (PubChem CID 594181) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-ethoxyiminoindene-1,3-dione.

Molecular Properties

Compound Name2-ethoxyiminoindene-1,3-dione
PubChem CID594181
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-ethoxyiminoindene-1,3-dione
SMILESCCON=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-2-15-12-9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6H,2H2,1H3
InChIKeyGJBCSUOCYFYQER-UHFFFAOYSA-N
XLogP0.29
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyiminoindene-1,3-dione?
The IUPAC name of 2-ethoxyiminoindene-1,3-dione (CID 594181) is 2-ethoxyiminoindene-1,3-dione.
What is the SMILES notation for 2-ethoxyiminoindene-1,3-dione?
The canonical SMILES for 2-ethoxyiminoindene-1,3-dione is CCON=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-ethoxyiminoindene-1,3-dione?
The InChIKey is GJBCSUOCYFYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-15-12-9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6H,2H2,1H3.
What are the key properties of 2-ethoxyiminoindene-1,3-dione?
2-ethoxyiminoindene-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyiminoindene-1,3-dione is sourced from PubChem (CID 594181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).